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	hartrees
Energy at 0K	-183.190423
Energy at 298.15K	-183.193923
HF Energy	-183.190423
Nuclear repulsion energy	67.924488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3794	3350	1.48
2	A	3542	3128	5.25
3	A	1726	1524	20.13
4	A	1671	1476	25.57
5	A	1270	1122	31.25
6	A	1047	925	11.46
7	A	659	582	204.53
8	A	584	516	55.71
9	A	438	387	35.10

Atom	x (Å)	y (Å)	z (Å)
O1	-1.155	0.262	0.011
N2	-0.189	-0.564	0.009
N3	1.102	0.157	-0.120
H4	1.030	1.137	0.269
H5	1.825	-0.386	0.417

	O1	N2	N3	H4	H5
O1		1.2713	2.2631	2.3685	3.0771
N2	1.2713		1.4839	2.1092	2.0627
N3	2.2631	1.4839		1.0571	1.0524
H4	2.3685	2.1092	1.0571		1.7248
H5	3.0771	2.0627	1.0524	1.7248

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	110.212		N2	N3	H4	111.099
N2	N3	H5	107.617		H4	N3	H5	109.702

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.102
2	N	0.025
3	N	-0.306
4	H	0.187
5	H	0.196

	x	y	z	Total
	1.678	0.861	1.356	2.323
CHELPG
AIM
ESP

	x	y	z
x	2.878	-0.127	0.119
y	-0.127	1.307	0.011
z	0.119	0.011	0.578

<r²>	38.021
(<r²>)^1/2	6.166

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)